Glycoside
...
GD128522

Name:
None

Formula:
C45H51O25

Smiles:
O=C(O)CC(=O)OCC1OC(Oc2cc(O)cc3c2C=C(OC2OC(COC(=O)C=Cc4ccc(O)cc4)C(O)C(O)C2OC2OC(C[OH2+])C(O)C(O)C2O)C(c2ccc(O)cc2)O3)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.COC(=O)CC(=O)O.OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(OC2OC(C[OH2+])C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 7
HBD: 14 FractionCSP3: 0.44
AlogP: -2.88 Num_rotatable_bonds: 16
MolWt: 991.88 Num_heavy_atoms: 70
TPSA: 399.94 NumAromaticRings: 3

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD24597
Formula: C15H12O5

Smiles:
OC1=Cc2c(O)cc(O)cc2OC1c1ccc(O)cc1
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.07
AlogP: 2.84 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 90.15 NumAromaticRings: 2

Sugarmoiety
SD04497

OC1OC(O)C(O)C(O)C1O.OC1OC(O)C(OC2OC(C[OH2+])C(O)C(O)C2O)C(O)C1O